#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/76/2227670.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2227670
loop_
_publ_author_name
'Nagasawa, Atsushi'
'Mitsui, Ryosuke'
'Kato, Yuichi'
'Okamoto, Akiko'
'Yonezawa, Noriyuki'
_publ_section_title
;
 1-[(4-Chlorophenyl)(phenylimino)methyl]-7-methoxy-2-naphthol--1,4-diazabicyclo[2.2.2]octane
 (2/1)
;
_journal_coeditor_code           IS2593
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2498
_journal_paper_doi               10.1107/S1600536810034690
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '2(C24 H18 Cl N O2), C6 H12 N2'
_chemical_formula_moiety         '2(C24 H18 Cl N O2), C6 H12 N2'
_chemical_formula_sum            'C54 H48 Cl2 N4 O4'
_chemical_formula_weight         887.86
_chemical_melting_point_gt       445.6
_chemical_melting_point_lt       446.0
_chemical_name_systematic
;
1-[(4-Chlorophenyl)(phenylimino)methyl]-7-methoxy-2-naphthol--
1,4-diazabicyclo[2.2.2]octane (2/1)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.6210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.0027(5)
_cell_length_b                   9.92298(18)
_cell_length_c                   20.0052(4)
_cell_measurement_reflns_used    33487
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.6
_cell_volume                     4512.07(16)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0110
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            39753
_diffrn_reflns_theta_full        68.23
_diffrn_reflns_theta_max         68.23
_diffrn_reflns_theta_min         3.89
_exptl_absorpt_coefficient_mu    1.709
_exptl_absorpt_correction_T_max  0.5481
_exptl_absorpt_correction_T_min  0.3809
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
(NUMABS; Higashi, 1999)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.317
_refine_ls_extinction_coef       0.00076(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4125
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0539P)²+2.6288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.0969
_reflns_number_gt                3831
_reflns_number_total             4125
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            is2593.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2227670
_cod_database_fobs_code          2227670
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl Cl1 0.091242(19) -0.01553(5) 0.13553(2) 0.06399(16) Uani d . 1 . .
O O1 0.39706(5) 0.09386(10) 0.35831(6) 0.0414(3) Uani d . 1 . .
O O2 0.27685(5) -0.16378(10) 0.60663(6) 0.0454(3) Uani d . 1 . .
N N1 0.30621(5) 0.22752(11) 0.43787(6) 0.0334(3) Uani d . 1 . .
N N2 0.52801(5) -0.05890(12) 0.70856(6) 0.0364(3) Uani d . 1 . .
C C1 0.35467(5) 0.01095(12) 0.43518(7) 0.0285(3) Uani d . 1 . .
C C2 0.39665(6) -0.00014(13) 0.40731(7) 0.0320(3) Uani d . 1 . .
C C3 0.43819(6) -0.10588(14) 0.43064(8) 0.0372(3) Uani d . 1 . .
H H3 0.4684 -0.1102 0.4136 0.045 Uiso calc R 1 . .
C C4 0.43495(6) -0.20190(14) 0.47761(8) 0.0369(3) Uani d . 1 . .
H H4 0.4623 -0.2743 0.4916 0.044 Uiso calc R 1 . .
C C5 0.39191(6) -0.19608(13) 0.50592(7) 0.0319(3) Uani d . 1 . .
C C6 0.38745(6) -0.29572(14) 0.55401(8) 0.0381(3) Uani d . 1 . .
H H6 0.4123 -0.3726 0.5650 0.046 Uiso calc R 1 . .
C C7 0.34832(7) -0.28366(14) 0.58474(8) 0.0393(3) Uani d . 1 . .
H H7 0.3458 -0.3518 0.6167 0.047 Uiso calc R 1 . .
C C8 0.31135(6) -0.16910(14) 0.56896(7) 0.0345(3) Uani d . 1 . .
C C9 0.31213(6) -0.07365(13) 0.51986(7) 0.0311(3) Uani d . 1 . .
H H9 0.2857 0.0004 0.5079 0.037 Uiso calc R 1 . .
C C10 0.35246(5) -0.08518(12) 0.48682(7) 0.0283(3) Uani d . 1 . .
C C11 0.30795(5) 0.11744(13) 0.40603(7) 0.0296(3) Uani d . 1 . .
C C12 0.25612(5) 0.08458(13) 0.33587(7) 0.0306(3) Uani d . 1 . .
C C13 0.23887(6) -0.04876(14) 0.31739(7) 0.0347(3) Uani d . 1 . .
H H13 0.2624 -0.1194 0.3474 0.042 Uiso calc R 1 . .
C C14 0.18793(6) -0.08022(14) 0.25584(8) 0.0370(3) Uani d . 1 . .
H H14 0.1758 -0.1712 0.2442 0.044 Uiso calc R 1 . .
C C15 0.15531(6) 0.02355(15) 0.21194(7) 0.0378(3) Uani d . 1 . .
C C16 0.17224(6) 0.15721(15) 0.22735(8) 0.0396(3) Uani d . 1 . .
H H16 0.1498 0.2271 0.1955 0.048 Uiso calc R 1 . .
C C17 0.22236(6) 0.18705(14) 0.28987(7) 0.0350(3) Uani d . 1 . .
H H17 0.2339 0.2783 0.3016 0.042 Uiso calc R 1 . .
C C18 0.35302(6) 0.26745(13) 0.50447(7) 0.0321(3) Uani d . 1 . .
C C19 0.41007(6) 0.28720(13) 0.51060(8) 0.0355(3) Uani d . 1 . .
H H19 0.4198 0.2637 0.4710 0.043 Uiso calc R 1 . .
C C20 0.45241(6) 0.34079(14) 0.57415(8) 0.0396(3) Uani d . 1 . .
H H20 0.4910 0.3558 0.5775 0.048 Uiso calc R 1 . .
C C21 0.43962(7) 0.37310(15) 0.63327(8) 0.0414(3) Uani d . 1 . .
H H21 0.4692 0.4094 0.6770 0.050 Uiso calc R 1 . .
C C22 0.38341(7) 0.35180(15) 0.62785(8) 0.0423(3) Uani d . 1 . .
H H22 0.3744 0.3725 0.6684 0.051 Uiso calc R 1 . .
C C23 0.34011(6) 0.30065(14) 0.56397(8) 0.0385(3) Uani d . 1 . .
H H23 0.3014 0.2880 0.5605 0.046 Uiso calc R 1 . .
C C24 0.24275(8) -0.04438(17) 0.59824(10) 0.0523(4) Uani d . 1 . .
H H24A 0.2229 -0.0483 0.6313 0.063 Uiso calc R 1 . .
H H24B 0.2133 -0.0374 0.5473 0.063 Uiso calc R 1 . .
H H24C 0.2686 0.0345 0.6103 0.063 Uiso calc R 1 . .
C C25 0.47037(7) 0.00787(16) 0.67146(8) 0.0437(3) Uani d . 1 . .
H H25A 0.4462 -0.0418 0.6259 0.052 Uiso calc R 1 . .
H H25B 0.4761 0.1008 0.6576 0.052 Uiso calc R 1 . .
C C26 0.56208(7) 0.01255(17) 0.77789(9) 0.0462(4) Uani d . 1 . .
H H26A 0.5679 0.1075 0.7673 0.055 Uiso calc R 1 . .
H H26B 0.6013 -0.0299 0.8030 0.055 Uiso calc R 1 . .
C C27 0.51789(7) -0.19821(15) 0.72649(9) 0.0432(3) Uani d . 1 . .
H H27A 0.5562 -0.2434 0.7538 0.052 Uiso calc R 1 . .
H H27B 0.4962 -0.2491 0.6805 0.052 Uiso calc R 1 . .
H H1 0.4247(9) 0.075(2) 0.3425(11) 0.069(6) Uiso d . 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 O1 H1 . . 110.6(13) ?
C8 O2 C24 . . 116.85(10) ?
C11 N1 C18 . . 121.58(11) ?
C26 N2 C25 . . 108.56(12) ?
C26 N2 C27 . . 108.21(12) ?
C25 N2 C27 . . 108.21(11) ?
C2 C1 C10 . . 120.30(11) ?
C2 C1 C11 . . 119.87(11) ?
C10 C1 C11 . . 119.62(10) ?
O1 C2 C1 . . 118.17(11) ?
O1 C2 C3 . . 121.60(11) ?
C1 C2 C3 . . 120.22(12) ?
C4 C3 C2 . . 120.00(12) ?
C4 C3 H3 . . 120.0 ?
C2 C3 H3 . . 120.0 ?
C3 C4 C5 . . 121.48(12) ?
C3 C4 H4 . . 119.3 ?
C5 C4 H4 . . 119.3 ?
C4 C5 C6 . . 122.23(12) ?
C4 C5 C10 . . 118.96(12) ?
C6 C5 C10 . . 118.79(12) ?
C7 C6 C5 . . 121.37(12) ?
C7 C6 H6 . . 119.3 ?
C5 C6 H6 . . 119.3 ?
C6 C7 C8 . . 119.72(12) ?
C6 C7 H7 . . 120.1 ?
C8 C7 H7 . . 120.1 ?
O2 C8 C9 . . 124.82(12) ?
O2 C8 C7 . . 114.39(11) ?
C9 C8 C7 . . 120.79(12) ?
C8 C9 C10 . . 120.14(12) ?
C8 C9 H9 . . 119.9 ?
C10 C9 H9 . . 119.9 ?
C5 C10 C9 . . 119.01(11) ?
C5 C10 C1 . . 118.81(11) ?
C9 C10 C1 . . 122.18(11) ?
N1 C11 C12 . . 117.33(11) ?
N1 C11 C1 . . 126.31(12) ?
C12 C11 C1 . . 116.14(11) ?
C13 C12 C17 . . 118.81(12) ?
C13 C12 C11 . . 120.47(11) ?
C17 C12 C11 . . 120.62(12) ?
C14 C13 C12 . . 121.12(13) ?
C14 C13 H13 . . 119.4 ?
C12 C13 H13 . . 119.4 ?
C15 C14 C13 . . 118.53(13) ?
C15 C14 H14 . . 120.7 ?
C13 C14 H14 . . 120.7 ?
C14 C15 C16 . . 121.86(13) ?
C14 C15 Cl1 . . 118.57(12) ?
C16 C15 Cl1 . . 119.57(11) ?
C17 C16 C15 . . 118.87(13) ?
C17 C16 H16 . . 120.6 ?
C15 C16 H16 . . 120.6 ?
C16 C17 C12 . . 120.75(13) ?
C16 C17 H17 . . 119.6 ?
C12 C17 H17 . . 119.6 ?
C19 C18 C23 . . 118.91(13) ?
C19 C18 N1 . . 122.47(11) ?
C23 C18 N1 . . 118.32(11) ?
C20 C19 C18 . . 120.01(12) ?
C20 C19 H19 . . 120.0 ?
C18 C19 H19 . . 120.0 ?
C19 C20 C21 . . 121.01(13) ?
C19 C20 H20 . . 119.5 ?
C21 C20 H20 . . 119.5 ?
C22 C21 C20 . . 119.17(14) ?
C22 C21 H21 . . 120.4 ?
C20 C21 H21 . . 120.4 ?
C21 C22 C23 . . 120.57(13) ?
C21 C22 H22 . . 119.7 ?
C23 C22 H22 . . 119.7 ?
C22 C23 C18 . . 120.31(13) ?
C22 C23 H23 . . 119.8 ?
C18 C23 H23 . . 119.8 ?
O2 C24 H24A . . 109.5 ?
O2 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
O2 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
N2 C25 C26 . 2_656 110.77(12) ?
N2 C25 H25A . . 109.5 ?
C26 C25 H25A 2_656 . 109.5 ?
N2 C25 H25B . . 109.5 ?
C26 C25 H25B 2_656 . 109.5 ?
H25A C25 H25B . . 108.1 ?
N2 C26 C25 . 2_656 110.40(11) ?
N2 C26 H26A . . 109.6 ?
C25 C26 H26A 2_656 . 109.6 ?
N2 C26 H26B . . 109.6 ?
C25 C26 H26B 2_656 . 109.6 ?
H26A C26 H26B . . 108.1 ?
N2 C27 C27 . 2_656 110.45(7) ?
N2 C27 H27A . . 109.6 ?
C27 C27 H27A 2_656 . 109.6 ?
N2 C27 H27B . . 109.6 ?
C27 C27 H27B 2_656 . 109.6 ?
H27A C27 H27B . . 108.1 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cl1 C15 . 1.7357(15) ?
O1 C2 . 1.3563(16) ?
O1 H1 . 0.89(2) ?
O2 C8 . 1.3623(15) ?
O2 C24 . 1.4282(18) ?
N1 C11 . 1.2744(17) ?
N1 C18 . 1.4150(17) ?
N2 C26 . 1.4723(19) ?
N2 C25 . 1.4749(18) ?
N2 C27 . 1.4762(19) ?
C1 C2 . 1.3828(17) ?
C1 C10 . 1.4241(17) ?
C1 C11 . 1.5012(17) ?
C2 C3 . 1.4119(19) ?
C3 C4 . 1.364(2) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.4106(18) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.4159(19) ?
C5 C10 . 1.4198(17) ?
C6 C7 . 1.360(2) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.4154(19) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.3706(18) ?
C9 C10 . 1.4221(17) ?
C9 H9 . 0.9500 ?
C11 C12 . 1.4966(18) ?
C12 C13 . 1.3931(19) ?
C12 C17 . 1.3949(18) ?
C13 C14 . 1.3890(19) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.378(2) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.387(2) ?
C16 C17 . 1.384(2) ?
C16 H16 . 0.9500 ?
C17 H17 . 0.9500 ?
C18 C19 . 1.3937(19) ?
C18 C23 . 1.3964(18) ?
C19 C20 . 1.378(2) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.385(2) ?
C20 H20 . 0.9500 ?
C21 C22 . 1.380(2) ?
C21 H21 . 0.9500 ?
C22 C23 . 1.382(2) ?
C22 H22 . 0.9500 ?
C23 H23 . 0.9500 ?
C24 H24A . 0.9800 ?
C24 H24B . 0.9800 ?
C24 H24C . 0.9800 ?
C25 C26 2_656 1.540(2) ?
C25 H25A . 0.9900 ?
C25 H25B . 0.9900 ?
C26 C25 2_656 1.540(2) ?
C26 H26A . 0.9900 ?
C26 H26B . 0.9900 ?
C27 C27 2_656 1.545(3) ?
C27 H27A . 0.9900 ?
C27 H27B . 0.9900 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1 H1 N2 5_656 0.89(2) 1.86(2) 2.7401(18) 167.2(18)
C20 H20 Cl1 8_556 0.95 2.78 3.6071(17) 146
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C10 C1 C2 O1 . . . . -179.95(12) ?
C11 C1 C2 O1 . . . . 5.43(19) ?
C10 C1 C2 C3 . . . . -0.9(2) ?
C11 C1 C2 C3 . . . . -175.50(12) ?
O1 C2 C3 C4 . . . . -177.23(13) ?
C1 C2 C3 C4 . . . . 3.7(2) ?
C2 C3 C4 C5 . . . . -2.2(2) ?
C3 C4 C5 C6 . . . . 179.21(14) ?
C3 C4 C5 C10 . . . . -2.1(2) ?
C4 C5 C6 C7 . . . . 175.43(14) ?
C10 C5 C6 C7 . . . . -3.2(2) ?
C5 C6 C7 C8 . . . . -0.4(2) ?
C24 O2 C8 C9 . . . . -5.2(2) ?
C24 O2 C8 C7 . . . . 174.25(14) ?
C6 C7 C8 O2 . . . . -175.83(13) ?
C6 C7 C8 C9 . . . . 3.7(2) ?
O2 C8 C9 C10 . . . . 176.23(12) ?
C7 C8 C9 C10 . . . . -3.2(2) ?
C4 C5 C10 C9 . . . . -175.10(12) ?
C6 C5 C10 C9 . . . . 3.62(18) ?
C4 C5 C10 C1 . . . . 4.86(18) ?
C6 C5 C10 C1 . . . . -176.42(12) ?
C8 C9 C10 C5 . . . . -0.45(19) ?
C8 C9 C10 C1 . . . . 179.60(12) ?
C2 C1 C10 C5 . . . . -3.40(18) ?
C11 C1 C10 C5 . . . . 171.24(11) ?
C2 C1 C10 C9 . . . . 176.56(12) ?
C11 C1 C10 C9 . . . . -8.81(18) ?
C18 N1 C11 C12 . . . . 179.94(11) ?
C18 N1 C11 C1 . . . . 5.59(18) ?
C2 C1 C11 N1 . . . . -103.62(15) ?
C10 C1 C11 N1 . . . . 81.72(16) ?
C2 C1 C11 C12 . . . . 81.97(15) ?
C10 C1 C11 C12 . . . . -92.69(13) ?
N1 C11 C12 C13 . . . . -147.08(12) ?
C1 C11 C12 C13 . . . . 27.86(16) ?
N1 C11 C12 C17 . . . . 29.38(16) ?
C1 C11 C12 C17 . . . . -155.68(11) ?
C17 C12 C13 C14 . . . . -2.25(18) ?
C11 C12 C13 C14 . . . . 174.28(11) ?
C12 C13 C14 C15 . . . . 1.67(19) ?
C13 C14 C15 C16 . . . . 0.5(2) ?
C13 C14 C15 Cl1 . . . . -179.35(10) ?
C14 C15 C16 C17 . . . . -2.0(2) ?
Cl1 C15 C16 C17 . . . . 177.82(10) ?
C15 C16 C17 C12 . . . . 1.4(2) ?
C13 C12 C17 C16 . . . . 0.67(18) ?
C11 C12 C17 C16 . . . . -175.85(11) ?
C11 N1 C18 C19 . . . . 59.63(17) ?
C11 N1 C18 C23 . . . . -126.69(13) ?
C23 C18 C19 C20 . . . . -1.1(2) ?
N1 C18 C19 C20 . . . . 172.57(12) ?
C18 C19 C20 C21 . . . . 1.4(2) ?
C19 C20 C21 C22 . . . . -0.4(2) ?
C20 C21 C22 C23 . . . . -0.9(2) ?
C21 C22 C23 C18 . . . . 1.2(2) ?
C19 C18 C23 C22 . . . . -0.2(2) ?
N1 C18 C23 C22 . . . . -174.12(12) ?
C26 N2 C25 C26 . . . 2_656 -56.40(14) ?
C27 N2 C25 C26 . . . 2_656 60.82(16) ?
C25 N2 C26 C25 . . . 2_656 60.43(14) ?
C27 N2 C26 C25 . . . 2_656 -56.79(16) ?
C26 N2 C27 C27 . . . 2_656 61.24(19) ?
C25 N2 C27 C27 . . . 2_656 -56.21(19) ?
